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1227954-68-8 | Ethyl 3-amino-4-bromobenzo[b]thiophene-2-carboxylate
CAS No: 1227954-68-8 Catalog No: AG01FGJJ MDL No:
Product Description
Catalog Number:
AG01FGJJ
Chemical Name:
Ethyl 3-amino-4-bromobenzo[b]thiophene-2-carboxylate
CAS Number:
1227954-68-8
IUPAC Name:
ethyl 3-amino-4-bromo-1-benzothiophene-2-carboxylate
InChI:
InChI=1S/C11H10BrNO2S/c1-2-15-11(14)10-9(13)8-6(12)4-3-5-7(8)16-10/h3-5H,2,13H2,1H3
InChI Key:
QRMCLDGXVIUBNH-UHFFFAOYSA-N
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.962g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.17g/mol
Monoisotopic Mass:
298.962g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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